Geometry & MOs

Info

ID:	425369
PubChem CID:	135126075
Reduced:	ON8C22H24 (1)
Stoich.:	AB8C22D24 (1)
Weight, g/mol:	433.200156
ΔH_f, kcal/mol:	62.56
Dipole, Da:	4.26
IP(EA), eV:	-8.97(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethoxy-6-(1-methylisoquinolin-6-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1CC#N)N2C(=NC3=CN=C4C(=C32)C=CN4)CC(=O)NCC5=NC=CN5

DOS

IR

Vibrations